Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design

T Róg, M Girych, A Bunker - Pharmaceuticals, 2021 - mdpi.com
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …

Dried blood spots in clinical lipidomics: optimization and recent findings

HB Ferreira, IMS Guerra, T Melo, H Rocha… - Analytical and …, 2022 - Springer
Dried blood spots (DBS) are being considered as an alternative sampling method of blood
collection that can be used in combination with lipidomic and other omic analysis. DBS are …

Polymerizable choline-and imidazolium-based ionic liquids reinforced with bacterial cellulose for 3d-printing

MA Smirnov, VS Fedotova, MP Sokolova, AL Nikolaeva… - Polymers, 2021 - mdpi.com
In this work, a novel approach is demonstrated for 3D-printing of bacterial cellulose (BC)
reinforced UV-curable ion gels using two-component solvents based on 1-butyl-3 …

Disassembly of TEMPO-oxidized cellulose fibers: intersheet and interchain interactions in the isolation of nanofibers and unitary chains

GH Silvestre, LO Pinto, JS Bernardes… - The Journal of …, 2021 - ACS Publications
Cellulose disassembly is an important issue in designing nanostructures using cellulose-
based materials. In this work, we present a combination of experimental and theoretical …

[HTML][HTML] Insights into spheroids formation in cellulose nanofibrils and Matrigel hydrogels using AFM-based techniques

RT Polez, N Huynh, CS Pridgeon, JJ Valle-Delgado… - Materials Today Bio, 2024 - Elsevier
The recent FDA decision to eliminate animal testing requirements emphasises the role of
cell models, such as spheroids, as regulatory test alternatives for investigations of cellular …

History and Perspectives of Atomistic Simulation of Polysaccharides

VI Deshchenya, ND Kondratyuk - Polymer Science, Series C, 2023 - Springer
The history and prospects for the development of interatomic interaction potentials for the
simulation of molecular systems and, in particular, polysaccharides are presented. Popular …

[HTML][HTML] Confronting Various Quality Perspectives of Paper Straws—Case Study with Generation Z

I Djekic, T Petrovic, N Smigic, B Udovicki, N Tomic - Applied Sciences, 2024 - mdpi.com
This article provides answers to the question of how Generation Z perceives various quality
characteristics in connection with paper straws. The aim of this study was to analyze the …

Molecular insights into the crystalline nanocellulose and human lysozyme interactions: An experimental and theoretical research

Y Mahmoodi, F Mehrnejad, S Khanmohammadi… - International Journal of …, 2022 - Elsevier
In the present research, we performed a combination of detailed computational and
spectroscopic methods to determine the effect of crystalline nanocellulose (CNC) on the …

How to control interactions of cellulose-based biomaterials with skin: The role of acidity in the contact area

AA Gurtovenko, M Karttunen - Soft Matter, 2021 - pubs.rsc.org
Being able to control the interactions of biomaterials with living tissues and skin is highly
desirable for many biomedical applications. This is particularly the case for cellulose-based …

Targeted and untargeted metabolomics and lipidomics in dried blood microsampling: Recent applications and perspectives

P Couacault, D Avella… - Analytical Science …, 2024 - Wiley Online Library
Blood microsampling (BµS) offers an alternative to conventional methods that use plasma or
serum for profiling human health, being minimally invasive and cost effective, especially …